2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid

C16H9ClFNO3 — CID 22481000

IUPAC2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2Cl)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C16H9ClFNO3/c17-11-4-2-1-3-9(11)14-13(16(21)22)15(20)10-7-8(18)5-6-12(10)19-14/h1-7H,(H,19,20)(H,21,22)
InChIKeyBCKXXIMMTZUVPT-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.69
Rot. Bonds2

About 2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid

2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 22481000) has the molecular formula C16H9ClFNO3 and a molecular weight of 317.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID22481000
Molecular FormulaC16H9ClFNO3
Molecular Weight317.70 g/mol
Exact Mass317.03
IUPAC Name2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2Cl)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C16H9ClFNO3/c17-11-4-2-1-3-9(11)14-13(16(21)22)15(20)10-7-8(18)5-6-12(10)19-14/h1-7H,(H,19,20)(H,21,22)
InChIKeyBCKXXIMMTZUVPT-UHFFFAOYSA-N
XLogP3.69
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid (CID 22481000) is 2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid is O=C(O)c1c(-c2ccccc2Cl)[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of 2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is BCKXXIMMTZUVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO3/c17-11-4-2-1-3-9(11)14-13(16(21)22)15(20)10-7-8(18)5-6-12(10)19-14/h1-7H,(H,19,20)(H,21,22).
What are the key properties of 2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid?
2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 317.70 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 22481000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).